3-phenylpropyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2-thenoylamino)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21N3O4S2/c23-16(20-19(27)22-21-18(25)15-9-5-13-28-15)10-11-17(24)26-12-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13H,4,8,10-12H2,(H,21,25)(H2,20,22,23,27)